Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEIDMNTMDTFHQMDKSHQGYITEFNDKSEFEQRINTAWRRAEPEAVEELLQAAAVSDDLDHKIYDLAFNLAHNLRERKTSSGKAGIVQGLLQEFSLSSQEGVALMCLAEALLRIPDTATRDLLIRDKINQGNWKEHVGQSSLMFVNAAAWGLMLTGKLMETPKQTSLSSVLTGLLARSGRGIIRKAVDVAMRMMGEQFVTGETIEEAVDHAKVLEDKGFRYSYDMLGEAALTDHDAERYFNDYTQAIHAIGKASNGKGVYDGPGISIKLSALHPRYQRAQIERVHKELYGKVFELARLAKQYNIGLNIDAEESERLEISLELLERLCFEPELANWKGIGFVIQAYQKRCFFVVDYIIDLAKRSQKRLMIRLVKGAYWDSEIKKAQIEGMDDYPVFTRKVHTDLSYIACAKKLLAAPEFIYPQFATHNAQTLATIYHLADPSKYYAGQYEFQCLHGMGEPLYEQVVGPRQQNKLGVPCRIYAPVGNHETLLAYLVRRLLENGANTSFVNRIADKTLKVEDLIQSPIYDIRNAAKLEGSVGLKHPSIPLPLDMYGTLRKNSKGYDLANDTPLAALDSTAQELRNRIWQSHPLLANTDSLEQGHSVAITNPAQNDEIVGYVQEADLKHVEIALTAAEQTQSEWSNTPKDQCAQYLKRAADLMESRIQELMVLLCRESGKTYANAIAEVREAVDFLRYYATQVENL--PANTVIQPLGTVLCISPWNFPLAIFSGQIAAALVSGNCVIAKPAEQTPLIAAQAVQILWEAGIPHGAVQLLPGRGETVGAQLSQDSRIDGIMFTGSTEVAKILQKTVAKRLSENGQSIPLIAETGGQNAMIVDSSALTEQVVLDVVSSAFDSAGQRCSALRILCVQEDSAATVIKMLKGAMQQLIVGNPAILKTDIGPVIDDEAKQTIDQHIQKMKSKGYPVHQLMFGATSQTELDKGTFVVPTAIELPNLDDLQREVFGPVLHIITYKYGELEQLISRINAKGYGLTMGLHTRIDETIQTVIQHAEVGNLYINRNIVGAVVGVQPFGGEGLSGTGPKAGGPLYMYRLMQHCSNKVLATPFAVKNEQTIFEGFNREVYQSLQNW-----AKQHLPQANREIEPFGVGKFYELQGPTGESNQYIILPRHRVLSIADTEQDQLHQLLAIFAVGSQAAVMQNSPLLAKHKQTLPKDVLDAITTIKNITTDD-FDAVLHHGNRKEIFSLQQEIASRSGAIVGITHVEPNE------SIPLERLVIERAISVNTAAAGGNASLMTMSE 5KF7 Chain:A ((30-1233)) ----------------------------QSTLRRAITAAYRRPETECLPPLVEAATQSKEIRDAAASTARKLIEALRGK----G----VEGLVQEYSLSSQEGVALMCLAEALLRIPDTATRDALIRDKIADGNWKSHL---RSLFVNAATWGLVVTGKLTSTVNDRSLAAALTRLISRCGEPVIRRGVDMAMRMMGEQFVTGETIREALKRSKELEEKGFSYSYDMLGEAATTAADAERYYRDYESAIHAIGKASAGRGIYEGPGISIKLSALHPRYSRAQAARVMGELLPRVKALALLAKNYDIGLNIDAEEADRLELSLDLLEVLCLDGDLSGWNGMGFVVQAYGKRCPFVLDFIIDLARRSGRRIMVRLVKGAYWDAEIKRAQLDGLADFPVFTRKIHTDVSYIACAAKLLAATDVVFPQFATHNAQTLAAIYHMAG-KDFHVGKYEFQCLHGMGEPLYEEVVG---RGKLDRPCRIYAPVGTHETLLAYLVRRLLENGANSSFVHRINDPKVSIDELIADPVEVVRAMP----VVGAKHDRIALPAELFGDARTNSAGLDLSNEETLASLTEALRESAAMKWTALPQLATGPA--AGETRTVLNPGDHRDVVGSVTETSEEDARRAVRLAADAAPDWAAVPPSERAACLDRAAELMQARMPTLLGLIIREAGKSALNAIAEVREAIDFLRYYAEQTRRTLGPGH---GPLGPIVCISPWNFPLAIFTGQIAAALVAGNPVLAKPAEETPLIAAEGVRILREAGIPASALQLLPGDGR-VGAALVAAAETAGVMFTGSTEVARLIQAQLADRLSPAGRPIPLIAETGGQNAMIVDSSALAEQVVGDVITSAFDSAGQRCSALRVLCLQEDVADRILTMLKGALHELHIGRTDRLSVDVGPVITSEAKDNIEKHIERMRGLGRKVEQI--GLASETGV--GTFVPPTIIELEKLSDLQREVFGPVLHVIRYRRDDLDRLVDDVNATGYGLTFGLHTRLDETIAHVTSRIKAGNLYINRNIIGAVVGVQPFGGRGLSGTGPKAGGPLYLGRL-------VTTAPVPPQHSSV----HTDPVLLDFAKWLDGKGARAEAEAARNAGSSSALGLDLELPGPVGERNLYTLHARGRILLVPATESGLYHQLAAALATGNSVAIDAASGLQASLKN-LPQTVGLRVSWSKDWAADGPFAGALVEGDAERIRAVNKAIAALPGPLLLVQAASSGEIARNPDAYCLNWLVEEVSASINTAAAGGNASLMA---

General information: TITO was launched using: RESULT: Template: 5KF7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 7388 -384089 -51.99 -324.67 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -51.99 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_5KF7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KF7-query.scw PDB file : Tito_Scwrl_5KF7.pdb: